2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C16H21ClN6O — CID 685322

IUPAC2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESClc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H21ClN6O/c17-14-20-15(18-6-7-23-8-10-24-11-9-23)22-16(21-14)19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,18,19,20,21,22)
InChIKeyALLNCBRRCOFRHF-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.88
Rot. Bonds7

About 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 685322) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID685322
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESClc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H21ClN6O/c17-14-20-15(18-6-7-23-8-10-24-11-9-23)22-16(21-14)19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,18,19,20,21,22)
InChIKeyALLNCBRRCOFRHF-UHFFFAOYSA-N
XLogP1.88
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Benzyl-(4-hydrazino-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-amine
CID 3119592
N-Allyl-N'-benzyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 3121126
N-benzyl-6-(4-morpholinyl)-N'-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 1043362
2,4-Bismorpholino-6-benzylamino-1,3,5-triazine
CID 1068729
N-(4-chlorobenzyl)-4,6-di-4-morpholinyl-1,3,5-triazin-2-amine
CID 1291127
4-(4-benzylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 4455755
N-benzyl-4-[4-(2-chloroethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 145987991
2-(4-Benzylpiperazin-1-yl)-4-(morpholin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1114000
2-N,4-N-dibenzyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7589350
s-Triazine, 2-amino-4-((4-benzyl-1-piperazinyl)methyl)-6-morpholino-
CID 210926
N,N'-dibenzylmorpholine-4-carboximidamide
CID 10267359
N-((R)-1-Phenyl-ethyl)-6-piperidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 44350020

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 685322) is 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is Clc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ALLNCBRRCOFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c17-14-20-15(18-6-7-23-8-10-24-11-9-23)22-16(21-14)19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,18,19,20,21,22).
What are the key properties of 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 348.84 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 685322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).